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BDBM50200401 2-((S)-5-(3-(methyl(5-methyl-2-m-tolylpyrimidin-4-yl)amino)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid::CHEMBL238745

SMILES: CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1cccc(C)c1

InChI Key: InChIKey=GLYPZQJNVATZPQ-NRFANRHFSA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50200401   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200401
PNG
(2-((S)-5-(3-(methyl(5-methyl-2-m-tolylpyrimidin-4-...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1cccc(C)c1
Show InChI InChI=1S/C27H31N3O3/c1-18-6-4-7-22(14-18)26-28-17-19(2)27(29-26)30(3)12-5-13-33-23-10-11-24-20(15-23)8-9-21(24)16-25(31)32/h4,6-7,10-11,14-15,17,21H,5,8-9,12-13,16H2,1-3H3,(H,31,32)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 41n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200401
PNG
(2-((S)-5-(3-(methyl(5-methyl-2-m-tolylpyrimidin-4-...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1cccc(C)c1
Show InChI InChI=1S/C27H31N3O3/c1-18-6-4-7-22(14-18)26-28-17-19(2)27(29-26)30(3)12-5-13-33-23-10-11-24-20(15-23)8-9-21(24)16-25(31)32/h4,6-7,10-11,14-15,17,21H,5,8-9,12-13,16H2,1-3H3,(H,31,32)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.39E+3n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200401
PNG
(2-((S)-5-(3-(methyl(5-methyl-2-m-tolylpyrimidin-4-...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1cccc(C)c1
Show InChI InChI=1S/C27H31N3O3/c1-18-6-4-7-22(14-18)26-28-17-19(2)27(29-26)30(3)12-5-13-33-23-10-11-24-20(15-23)8-9-21(24)16-25(31)32/h4,6-7,10-11,14-15,17,21H,5,8-9,12-13,16H2,1-3H3,(H,31,32)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 670n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair